2-Fluoro-6-(methylsulfonyl)toluene - CAS 828270-59-3
Catalog: |
BB036918 |
Product Name: |
2-Fluoro-6-(methylsulfonyl)toluene |
CAS: |
828270-59-3 |
Synonyms: |
1-fluoro-2-methyl-3-methylsulfonylbenzene; 1-fluoro-2-methyl-3-methylsulfonylbenzene |
IUPAC Name: | 1-fluoro-2-methyl-3-methylsulfonylbenzene |
Description: | 2-Fluoro-6-(methylsulfonyl)toluene (CAS# 828270-59-3) is a useful research chemical. |
Molecular Weight: | 188.22 |
Molecular Formula: | C8H9FO2S |
Canonical SMILES: | CC1=C(C=CC=C1S(=O)(=O)C)F |
InChI: | InChI=1S/C8H9FO2S/c1-6-7(9)4-3-5-8(6)12(2,10)11/h3-5H,1-2H3 |
InChI Key: | NLIAYVPQLLIZHN-UHFFFAOYSA-N |
LogP: | 2.61840 |
Publication Number | Title | Priority Date |
US-2008312230-A1 | Organic Compounds | 20051213 |
EP-1761529-B1 | Pyrrolopyridine derivatives and their use as crth2 antagonists | 20040617 |
US-2008114022-A1 | Pyrrolopyridine Derivatives And Their Use As Crth2 Antagonists | 20040617 |
US-2010204225-A1 | Organic compounds | 20040617 |
US-2010210610-A1 | Organic compounds | 20040617 |
Complexity: | 242 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 188.03072886 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 188.03072886 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 42.5 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.6 |
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